[1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C15H21F2N3O2 — CID 86790013

IUPAC[1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESO=C(OC1CCN(CC(F)F)CC1)c1cnn2c1CCCC2
InChIInChI=1S/C15H21F2N3O2/c16-14(17)10-19-7-4-11(5-8-19)22-15(21)12-9-18-20-6-2-1-3-13(12)20/h9,11,14H,1-8,10H2
InChIKeyJAUXOEZILNBDPK-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.11
Rot. Bonds4

About [1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

[1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 86790013) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID86790013
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name[1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESO=C(OC1CCN(CC(F)F)CC1)c1cnn2c1CCCC2
InChIInChI=1S/C15H21F2N3O2/c16-14(17)10-19-7-4-11(5-8-19)22-15(21)12-9-18-20-6-2-1-3-13(12)20/h9,11,14H,1-8,10H2
InChIKeyJAUXOEZILNBDPK-UHFFFAOYSA-N
XLogP2.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of [1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 86790013) is [1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for [1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for [1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is O=C(OC1CCN(CC(F)F)CC1)c1cnn2c1CCCC2.
What is the InChIKey of [1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is JAUXOEZILNBDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c16-14(17)10-19-7-4-11(5-8-19)22-15(21)12-9-18-20-6-2-1-3-13(12)20/h9,11,14H,1-8,10H2.
What are the key properties of [1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
[1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)piperidin-4-yl] 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 86790013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).